Products for Research Use Only

PROTAC EGFR degrader 9

CAT: 0013-GTR19262505-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19262505-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PROTACEGFRdegrader 9 (Compound C6) is an orally active, CRBN-based PROTAC EGFR degrader. It has a DC50 of 10.2 nM and a Kd of 240.2 nM against EGFRL858R/T790M/C797S. PROTACEGFRdegrader 9 demonstrates effective degradation activity against various EGFR mutants while not affecting EGFRWT.
CAS Number
2992670-33-2
Field of Research
Cardiovascular Research, Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C1C=2C=CC=C (NC (=O) CCCCCCN3CCN (C4=CC=C (C=C4) NC=5N=CC (=C (N5) C6=CN (C=7C=CC=CC67) S (=O) (=O) CC) C (F) (F) F) CC3) C2CN1C8C (=O) NC (=O) CC8
Molecular Formula
C45H48F3N9O6S
Molecular Weight
899.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PROTAC EGFR degrader 9
CAS Number2992670-33-2
PubChem CID171713887
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-7-[4-[4-[[4-(1-ethylsulfonylindol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]heptanamide
Molecular FormulaC45H48F3N9O6S
Molecular Weight900.0
XLogP5.4
Topological Polar Surface Area187
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count15
Heavy Atom Count64
Formal Charge0
Complexity1760
SMILES
CCS(=O)(=O)N1C=C(C2=CC=CC=C21)C3=NC(=NC=C3C(F)(F)F)NC4=CC=C(C=C4)N5CCN(CC5)CCCCCCC(=O)NC6=CC=CC7=C6CN(C7=O)C8CCC(=O)NC8=O
InChI
InChI=1S/C45H48F3N9O6S/c1-2-64(62,63)57-28-34(31-10-6-7-13-37(31)57)41-35(45(46,47)48)26-49-44(53-41)50-29-15-17-30(18-16-29)55-24-22-54(23-25-55)21-8-4-3-5-14-39(58)51-36-12-9-11-32-33(36)27-56(43(32)61)38-19-20-40(59)52-42(38)60/h6-7,9-13,15-18,26,28,38H,2-5,8,14,19-25,27H2,1H3,(H,51,58)(H,49,50,53)(H,52,59,60)
InChIKey
NFLKKMOHWZTOPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PROTAC EGFR degrader 9
CAS: 2992670-33-2
CID: 171713887
Formula: C45H48F3N9O6S
MW: 900.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight900.0
XLogP35.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count15
Exact Mass899.34003594
Monoisotopic Mass899.34003594
Topological Polar Surface Area187 Ų
Heavy Atom Count64
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes